Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3682804

CCCCCc1ccc(CCc2ccc(S(=O)(=O)N[C@H](CC(=O)O)C[N+](C)(C)C)s2)cc1.O=C([O-])C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.40
MMP9 P14780 2/20 0.40
AKT1 P31749 4/20 0.38
GAB1 Q13480 2/20 0.38
IRS1 P35568 1/20 0.38
S1PR2 O95136 3/20 0.37
S1PR1 P21453 3/20 0.37
S1PR4 O95977 2/20 0.37
S1PR3 Q99500 2/20 0.37
FAAH O00519 1/20 0.35
MMP1 P03956 1/20 0.35
MMP3 P08254 1/20 0.35
MMP8 P22894 1/20 0.35
MMP14 P50281 1/20 0.35
MMP25 Q9NPA2 1/20 0.35
HAO1 Q9UJM8 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Trifluoroacetic Acid SCHEMBL3682809 1.00 MMP2 (0.40) MMP2MMP9AKT1GAB1IRS1
SCHEMBL13410002 0.93 S1PR1 (0.42) MMP2MMP9AKT1GAB1IRS1
Trifluoroacetic Acid SCHEMBL3684585 0.91 ITGB3 (0.38) MMP2MMP9
Trifluoroacetic Acid SCHEMBL3684591 0.91 ITGB3 (0.38) MMP2MMP9
Trifluoroacetic Acid SCHEMBL3689887 0.90 EEF2K (0.35) MMP2MMP9MMP8MMP14
Trifluoroacetic Acid SCHEMBL3689890 0.90 EEF2K (0.35) MMP2MMP9MMP8MMP14
Trifluoroacetic Acid SCHEMBL3691241 0.87 S1PR2 (0.44) AKT1GAB1IRS1S1PR2S1PR1
Trifluoroacetic Acid SCHEMBL3679726 0.87 MMP9 (0.57) MMP2MMP9MMP1MMP3MMP8
Trifluoroacetic Acid SCHEMBL3679731 0.87 MMP9 (0.57) MMP2MMP9MMP1MMP3MMP8
Trifluoroacetic Acid SCHEMBL3690901 0.86 S1PR2 (0.46) AKT1GAB1IRS1S1PR2S1PR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410150-B2 Inhibitors of carnitine palmitoyltransferase and treating cancer UNIVERSITY HEALTH NETWORK (CA) 2013-04-02 US disclosed
US-20100105900-A1 INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER UNIVERSITY HEALTH NETWORK 2010-04-29 US disclosed
WO-2008109991-A1 INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER UNIVERSITY HEALTH NETWORK (CA) 2008-09-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100105900-A1 INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER CPT1A, CPT1B, CPT2 MMP2 961/4885MMP9 1084/4885AKT1 2790/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.